5-methyl-2-pyrimidin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-methyl-2-pyrimidin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-pyrimidin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-methyl-2-(2-pyrimidinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-pyrimidin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-(2-pyrimidyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC=CC=N3

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC=CC=N3

InChI

InChI=1S/C13H13N3O2/c1-8-3-4-9-10(7-8)12(18)16(11(9)17)13-14-5-2-6-15-13/h2-3,5-6,9-10H,4,7H2,1H3